Vitas-M small molecule compound
(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(6-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STL022426
SMILES N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1nc2ccc(cc2c(=O)[nH]1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H18ClN3O3 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O3/c1-31-23-12-17(7-10-22(23)32-15-16-5-3-2-4-6-16)11-18(14-27)24-28-21-9-8-19(26)13-20(21)25(30)29-24/h2-13H,15H2,1H3,(H,28,29,30)/b18-11-InChIKey
AQWBZFIGBJAYPF-WQRHYEAKSA-NSynonyms
(2Z)3(4(benzyloxy)3methoxyphenyl)2(6chloro4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)2(6chloro4oxo1Hquinazolin2yl)3(3methoxy4phenylmethoxyphenyl)prop2enenitrile
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)OCC4=CC=CC=C4
InChI=1SC25H18ClN3O3c131231217(71022(23)3215165324616)1118(1427)2428219819(26)1320(21)25(30)2924h213H15H21H3(H282930)b1811
MFCD18187193
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)c1nc2ccc(cc2c(=O)(nH)1)Cl
ZINC000033471734
ZINC33471734
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